Mass-Selected Ion Mobility Studies of the Isomerization of the Benzene Radical Cation and Binding Energy of the Benzene Dimer Cation. Separation of Isomeric Ions by Dimer Formation

2003 ◽  
Vol 107 (38) ◽  
pp. 7656-7666 ◽  
Author(s):  
Mark Rusyniak ◽  
Yehia Ibrahim ◽  
Edreese Alsharaeh ◽  
Michael Meot-Ner (Mautne ◽  
M. Samy El-Shall
Keyword(s):  
Binding Energy ◽  
Radical Cation ◽  
Ion Mobility ◽  
Dimer Formation ◽  
Mobility Studies ◽  
Benzene Dimer

Mass-analysed ion mobility studies of nitrobenzene

1984 ◽  
Vol 60 (1) ◽  
pp. 137-145 ◽  
Author(s):  
C.J. Proctor ◽  
J.F.J. Todd ◽  
R.B. Turner
Keyword(s):  
Ion Mobility ◽  
Mobility Studies

Ion Mobility Studies of PdCn+ Clusters: Where Are the Fullerenes?

1995 ◽  
Vol 99 (50) ◽  
pp. 17677-17679 ◽  
Author(s):  
Konstantin B. Shelimov ◽  
Martin F. Jarrold
Keyword(s):  
Ion Mobility ◽  
Mobility Studies

scholarly journals Ion-shift reagent binding energy and the shift-mass correlation in ion mobility spectrometry

2022 ◽  
Author(s):  
Roberto Fernandez-Maestre ◽  
Mahmoud Tabrizchi ◽  
Dairo Meza-Morelos
Keyword(s):  
Molecular Weight ◽  
Binding Energy ◽  
Interaction Energy ◽  
Ion Mobility Spectrometry ◽  
Ion Mobility ◽  
Drift Time ◽  
Shift Reagent ◽  
False Positives ◽  
Time Shift ◽  
Buffer Gas

Ion mobility spectrometry is widely used for the detection of illegal substances and explosives in airports, ports, custom, some stations and many other important places. This task is usually complicated by false positives caused by overlapping the target peaks with that of interferents, commonly associated with samples of interest. Shift reagents (SR) are species that selectively change ion mobilities through adduction with analyte ions when they are introduced in IMS instruments. This characteristic can be used to discriminate false positives because the interferents and illegal substances respond differently to SR depending on the structure and size of analytes and their interaction energy with SR. This study demonstrates that ion mobility shifts upon introduction of SR depend, not only on the ion masses, but on the interaction energies of the ion:SR adducts. In this study, we introduced five different SRs using ESI-IMS-MS to study the effect of the interaction energy and size on mobility shifts. The mobility shifts showed a decreasing trend as the molecular weight increased for the series of compounds ethanolamine, valinol, serine, threonine, phenylalanine, tyrosine, tributylamine, tryptophan, desipramine, and tribenzylamine. It was proved that the decreasing trend was partially due to the inverse relation between the mobility and drift time and hence, the shift in drift time better reflects the pure effect of SR on the mobility of analytes. Yet the drift time shift exhibited a mild decrease with the mass of ions. Valinol pulled out from this trend because it had a low binding energy interaction with all the SR and, consequently, its clusters were short-lived. This short lifetime produced fewer collisions against the buffer gas and a drift time shorter compared to those of ions of similar molecular weight. Analyte ion:SR interactions were calculated using Gaussian. IMS with the introduction of SR could be the choice for the free-interferents detection of illegal drugs, explosives, and biological and warfare agents. The suppression of false positives could facilitate the transit of passengers and cargos, rise the confiscation of illicit substances, and save money and distresses due to needless delays. Keywords: Adduction, ion mobility spectrometry, mass spectrometry, shift reagent, valinol, buffer gas modifier

scholarly journals Electromers of the benzene dimer radical cation

2015 ◽  
Vol 17 (16) ◽  
pp. 10624-10629 ◽  
Author(s):  
Anna Błoch-Mechkour ◽  
Thomas Bally
Keyword(s):  
Radical Cation ◽  
Radical Cations ◽  
Potential Surfaces ◽  
Benzene Dimer ◽  
Dimer Radical Cation

The benzene dimer cation, which is prorotypical for dimer radical cations, has been re-investigated computationally. Thereby it was found that it exists in the form of two distinct, but energetically very close-lying “electromers” which both reside on very flat potential surfaces.

Sign in / Sign up

Export Citation Format

Share Document